- 11 of 11 defined stereocentres
(3alpha,5beta,7alpha,12beta)-3-[(3-Carboxypropanoyl)oxy]-7,12-dihydroxycholan-24-oic acid
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)CCC(=O)O)C)O)O)C
InChI=1S/C28H44O8/c1-15(4-7-23(31)32)18-5-6-19-26-20(14-22(30)28(18,19)3)27(2)11-10-17(12-16(27)13-21(26)29)36-25(35)9-8-24(33)34/h15-22,26,29-30H,4-14H2,1-3H3,(H,31,32)(H,33,34)/t15-,16+,17-,18-,19+,20+,21-,22-,26+,27+,28-/m1/s1
HCNXRYWFDFDKOR-LVLJDNOQSA-N
CSID:21166993, http://www.chemspider.com/Chemical-Structure.21166993.html (accessed 13:42, Mar 28, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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